{"id":"W4308026812","doi":"10.1063/5.0128508","title":"Multiplicative potentials for kinetic energy and exact exchange","year":2022,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":6,"is_retracted":false,"has_abstract":true,"ca_institutions":"Western University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Multiplicative function; Hamiltonian (control theory); Kinetic energy; Atomic orbital; Basis (linear algebra); Electron; Basis function; Quantum mechanics; Quantum; Physics; Statistical physics; Mathematics; Computational chemistry; Chemistry; Mathematical analysis; Geometry","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000777781,0.0005335647,0.000347703,0.0009432973,0.0006432671,0.001126368,0.001029038,0.0006595502,0.003096012],"category_scores_gemma":[0.002406915,0.000217058,0.000548582,0.0003976116,0.0014293,0.0019605,0.001248608,0.001228483,0.0006438175],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004722184,"about_ca_system_score_gemma":0.0004726791,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003228275,"about_ca_topic_score_gemma":0.0003485559,"domain_scores_codex":[0.9995421,0.0001532665,0.00002322767,0.00004900323,0.0001812996,0.00005102824],"domain_scores_gemma":[0.9995054,0.0002447526,0.00003146562,0.0001068263,0.00007467238,0.00003687256],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.000004724666,0.000007474143,0.0000332271,0.00001668357,0.000002861182,0.00001615128,0.0000246633,0.005884986,0.0009174452,0.9897351,0.0002400536,0.00311663],"study_design_scores_gemma":[0.000005671999,0.00001810541,0.00005820104,0.00001140042,0.000003771468,0.00005320964,0.00002031736,0.1059685,0.001324927,0.8901979,0.002325721,0.00001223388],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.09600987,0.0008659998,0.839366,0.0009055758,0.0003396107,0.00006805603,0.0001360126,0.0002412543,0.0620678],"genre_scores_gemma":[0.8352253,0.0006925373,0.1481204,0.0003394001,0.0001493224,0.000213331,0.0001308963,0.0002357862,0.01489302],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.003096012,"threshold_uncertainty_score":0.0103572,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01412166089901146,"score_gpt":0.2542992789706827,"score_spread":0.2401776180716712,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}